SCHEMBL972550

SCHEMBL972550

Cc1nc(N2CCC(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)sc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.43
TRPV1 Q8NER1 2/20 0.38
KMT2A Q03164 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
USP30 Q70CQ3 1/20 0.37
MCHR1 Q99705 2/20 0.37
EPHX2 P34913 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
SYK P43405 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
PDE2A O00408 2/20 0.36
BTK Q06187 3/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL972757 0.90 SMPD3 (0.41) SMPD3BTK
SCHEMBL974290 0.89 BTK (0.38) SMPD3BTK
SCHEMBL973618 0.89 PCSK9 (0.43) SMPD3KMT2AEPHX2SYKPCSK9
SCHEMBL973992 0.88 BTK (0.45) SMPD3BTK
SCHEMBL973987 0.87 SMPD3 (0.43) SMPD3TRPV1KMT2ATRPM8USP30
SCHEMBL974125 0.86 CRHR1 (0.43) SMPD3KMT2ASYKPCSK9BTK
SCHEMBL973973 0.86 NAAA (0.46) SMPD3KMT2A
SCHEMBL973310 0.85 TRPV1 (0.41) SMPD3TRPV1KMT2ATRPM8USP30
SCHEMBL973959 0.84 BTK (0.38) SMPD3BTK
SCHEMBL973350 0.84 SMPD3 (0.38) SMPD3TRPV1TRPM8USP30MCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 SMPD3 3009/4885TRPV1 416/4885KMT2A 3889/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.